Lattice Dynamics, Specific Heat, and Bulk Modulus of Scandium

The phonon dispersion curves for scandium along the symmetry directions are obtained using the nearest‐neighbour central‐force model for h.c.p. metals proposed by Srinivasan and Ramji Rao. The theoretical curves are in good agreement with experiment, except in the case of two transverse optic branches. The calculated lattice heat capacity is in good agreement with the Cvl‐ values estimated from the experimental Cp‐data of scandium. The theoretical third‐order elastic (T.O.E.) constants of scandium are used to determine its Anderson‐Grüneisen (A.G.) parameter and the temperature dependence of the bulk modulus of scandium is calculated using Anderson's theory. The calculated change in Bs from 300 to 0 K is in accord with that estimated from the measured elastic constants of scandium. Copyright © 1978 WILEY‐VCH Verlag GmbH & Co. KGaA